Iterative Optimization with Semantic Kernel and Tavily

implementationChallenge

Prompt Content

Select the top 3-5 candidates based on predicted properties. Using Semantic Kernel, implement an iterative refinement loop with Llama 3.1. Guide the model to modify structures to improve multi-target affinity, reduce ADMET risks, and maintain drug-likeness. Integrate Tavily API to perform targeted searches for relevant information (e.g., known pharmacophores, protein-ligand interactions) during this refinement process. Ensure all iterations and changes are logged in Weights & Biases.

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